==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-NOV-11 3VKR . COMPND 2 MOLECULE: NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA TABACUM; . AUTHOR S.NAKANO,M.TAKAHASHI,A.SAKAMOTO,H.MORIKAWA,K.KATAYANAGI . 538 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 20 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 1 0 0 3 0 2 0 3 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 3 3 3 3 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 18 A V 0 0 119 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 123.0 -43.3 6.7 -46.2 2 19 A A > - 0 0 70 1,-0.1 3,-1.4 3,-0.0 4,-0.4 -0.362 360.0-117.4 -70.3 150.0 -40.7 9.0 -48.0 3 20 A A G > S+ 0 0 88 1,-0.3 3,-1.2 2,-0.2 4,-0.1 0.790 112.5 65.1 -57.5 -31.2 -37.6 7.6 -49.5 4 21 A E G > S+ 0 0 166 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.796 90.4 64.8 -62.8 -30.8 -35.4 9.6 -47.1 5 22 A R G < S+ 0 0 28 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.741 96.0 59.9 -62.9 -23.4 -36.9 7.6 -44.2 6 23 A L G < S+ 0 0 51 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.396 73.2 116.8 -91.2 2.2 -35.1 4.5 -45.7 7 24 A E S < S- 0 0 81 -3,-1.4 -3,-0.0 -4,-0.1 2,-0.0 -0.573 77.7-108.8 -69.4 124.1 -31.6 5.9 -45.5 8 25 A P - 0 0 45 0, 0.0 274,-0.2 0, 0.0 273,-0.1 -0.332 25.5-156.4 -55.7 136.5 -29.5 3.7 -43.1 9 26 A R + 0 0 54 272,-2.7 11,-2.9 271,-0.1 2,-0.3 0.574 70.0 56.3 -96.9 -12.4 -28.8 5.6 -39.9 10 27 A V E -A 19 0A 3 9,-0.3 2,-0.3 271,-0.1 9,-0.2 -0.812 63.4-164.6-116.1 159.7 -25.7 3.7 -38.8 11 28 A E E -A 18 0A 61 7,-2.6 7,-2.8 -2,-0.3 2,-0.4 -0.975 27.6-105.5-140.2 154.5 -22.4 3.1 -40.6 12 29 A E E +A 17 0A 100 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.670 40.5 172.8 -78.1 129.8 -19.5 0.7 -40.1 13 30 A K E > -A 16 0A 106 3,-3.2 3,-1.6 -2,-0.4 -2,-0.0 -0.924 65.6 -24.1-143.6 114.4 -16.4 2.5 -38.7 14 31 A D T 3 S- 0 0 139 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.820 127.6 -44.2 54.6 40.8 -13.3 0.7 -37.6 15 32 A G T 3 S+ 0 0 42 1,-0.3 -1,-0.3 185,-0.0 2,-0.3 0.335 124.3 84.2 93.0 -4.6 -15.0 -2.7 -36.9 16 33 A Y E < S-A 13 0A 19 -3,-1.6 -3,-3.2 184,-0.1 2,-0.5 -0.798 74.8-118.0-127.0 167.0 -18.0 -1.2 -35.1 17 34 A W E +A 12 0A 55 182,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.934 36.0 175.4-113.8 124.1 -21.4 0.2 -36.1 18 35 A I E -A 11 0A 25 -7,-2.8 -7,-2.6 -2,-0.5 2,-0.2 -0.933 37.4 -95.8-131.3 146.8 -22.1 3.8 -35.1 19 36 A L E -A 10 0A 1 -2,-0.3 -9,-0.3 -9,-0.2 5,-0.1 -0.435 49.0-110.6 -58.3 130.3 -24.9 6.3 -35.7 20 37 A K > - 0 0 35 -11,-2.9 3,-2.1 -2,-0.2 -1,-0.1 -0.280 28.5-109.0 -59.9 149.7 -24.1 8.6 -38.6 21 38 A E G > S+ 0 0 130 1,-0.3 3,-0.7 2,-0.1 -1,-0.1 0.827 117.7 50.9 -50.1 -40.3 -23.3 12.2 -37.7 22 39 A Q G 3 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.446 104.7 58.9 -82.9 -0.6 -26.6 13.5 -39.2 23 40 A F G < S+ 0 0 44 -3,-2.1 -1,-0.2 -14,-0.2 -2,-0.1 -0.163 79.3 87.6-120.2 38.7 -28.8 11.0 -37.3 24 41 A R X + 0 0 86 -3,-0.7 3,-1.1 -5,-0.1 2,-0.2 0.465 55.3 113.5-113.6 -7.1 -27.8 11.9 -33.7 25 42 A K T 3 S+ 0 0 201 1,-0.2 -3,-0.0 -3,-0.2 0, 0.0 -0.469 86.3 4.5 -67.0 135.2 -30.4 14.6 -33.0 26 43 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.0 0.525 88.4 154.3 76.2 9.5 -33.0 13.8 -30.4 27 44 A I < - 0 0 19 -3,-1.1 259,-0.2 1,-0.1 -1,-0.2 -0.255 45.3-103.8 -71.5 158.1 -31.6 10.4 -29.4 28 45 A N > - 0 0 10 257,-1.9 4,-1.6 258,-0.3 3,-0.3 -0.216 34.2-101.0 -76.2 166.8 -32.1 8.9 -25.9 29 46 A P H > S+ 0 0 84 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.828 121.2 57.0 -59.8 -33.0 -29.5 8.7 -23.2 30 47 A Q H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.890 104.3 52.4 -65.5 -38.4 -28.6 5.1 -23.9 31 48 A E H > S+ 0 0 1 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.887 108.1 52.4 -63.1 -37.7 -27.8 6.0 -27.5 32 49 A K H X S+ 0 0 107 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.896 105.8 53.5 -64.7 -40.3 -25.5 8.7 -26.1 33 50 A V H X S+ 0 0 8 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.927 108.8 50.1 -56.9 -45.0 -23.8 6.1 -23.9 34 51 A K H < S+ 0 0 11 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.829 112.2 46.6 -66.9 -33.8 -23.1 3.9 -27.0 35 52 A I H < S+ 0 0 55 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.891 105.8 59.1 -71.3 -41.4 -21.7 6.9 -29.0 36 53 A E H < S- 0 0 98 -4,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.883 129.6 -5.5 -59.9 -41.4 -19.4 8.0 -26.1 37 54 A K S < S- 0 0 59 -4,-1.7 -1,-0.3 -5,-0.2 3,-0.0 -0.918 75.7-114.7-155.9 133.8 -17.7 4.6 -26.0 38 55 A E > - 0 0 16 -2,-0.3 3,-1.4 -3,-0.2 4,-0.4 -0.504 22.0-150.4 -63.8 113.4 -18.4 1.4 -28.0 39 56 A P T > S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.840 91.3 65.4 -57.3 -34.2 -19.5 -1.2 -25.4 40 57 A M T >> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 3,-1.2 0.744 85.6 73.8 -64.4 -20.2 -18.1 -4.1 -27.4 41 58 A K H <> S+ 0 0 76 -3,-1.4 6,-1.9 1,-0.3 4,-1.6 0.788 82.3 69.4 -61.7 -27.6 -14.5 -2.7 -26.9 42 59 A L H <4 S+ 0 0 3 -3,-1.7 6,-2.5 -4,-0.4 7,-0.3 0.828 118.3 20.0 -61.0 -31.8 -14.7 -3.9 -23.3 43 60 A F H X4 S+ 0 0 63 -3,-1.2 3,-1.2 -4,-0.4 -2,-0.2 0.851 127.7 46.3 -96.8 -54.9 -14.5 -7.5 -24.7 44 61 A M H 3< S+ 0 0 71 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.1 0.693 126.5 30.1 -72.6 -21.8 -13.1 -7.3 -28.2 45 62 A E T 3< S- 0 0 115 -4,-1.6 -1,-0.3 -5,-0.3 -3,-0.1 0.151 112.2-116.4-116.6 14.1 -10.2 -4.9 -27.2 46 63 A N X> + 0 0 75 -3,-1.2 3,-1.4 1,-0.1 4,-0.5 0.793 60.3 153.9 55.0 33.7 -10.0 -6.3 -23.7 47 64 A G H 3> + 0 0 32 -6,-1.9 4,-1.8 1,-0.2 3,-0.4 0.789 62.9 71.5 -55.6 -29.3 -11.0 -3.0 -22.1 48 65 A I H 3> S+ 0 0 2 -6,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.807 83.3 69.4 -61.0 -29.8 -12.4 -5.0 -19.2 49 66 A E H <4 S+ 0 0 81 -3,-1.4 4,-0.4 -7,-0.3 -1,-0.2 0.933 109.3 31.4 -58.0 -51.0 -8.8 -5.9 -18.0 50 67 A E H >X S+ 0 0 113 -4,-0.5 3,-1.0 -3,-0.4 4,-0.5 0.864 116.9 57.5 -75.7 -35.6 -7.9 -2.4 -16.9 51 68 A L H >< S+ 0 0 8 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.907 100.6 57.8 -59.6 -41.7 -11.5 -1.5 -15.9 52 69 A A T 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.659 99.8 59.7 -65.5 -18.4 -11.7 -4.4 -13.4 53 70 A K T <4 S+ 0 0 131 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.633 83.4 95.1 -83.7 -18.4 -8.6 -3.1 -11.6 54 71 A I S << S- 0 0 50 -3,-1.5 5,-0.1 -4,-0.5 82,-0.0 -0.641 86.2-113.0 -79.5 124.9 -10.2 0.3 -10.7 55 72 A P >> - 0 0 79 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.315 24.9-123.9 -53.2 136.2 -11.9 0.3 -7.2 56 73 A I H 3> S+ 0 0 30 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.803 110.1 58.7 -58.7 -31.1 -15.6 0.7 -7.7 57 74 A E H 34 S+ 0 0 118 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.898 109.6 44.7 -65.1 -37.7 -15.8 3.8 -5.5 58 75 A E H X4 S+ 0 0 112 -3,-0.7 3,-1.4 1,-0.2 4,-0.3 0.892 109.1 56.5 -68.9 -42.6 -13.4 5.5 -8.0 59 76 A I H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.3 7,-0.4 0.894 102.9 55.6 -53.0 -42.6 -15.3 4.1 -10.9 60 77 A D T 3< S+ 0 0 36 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.604 92.5 72.9 -69.4 -12.5 -18.5 5.8 -9.6 61 78 A Q T < S+ 0 0 164 -3,-1.4 2,-0.4 -4,-0.3 -1,-0.3 0.537 96.8 50.2 -83.3 -7.2 -16.7 9.2 -9.6 62 79 A S S <> S- 0 0 54 -3,-1.4 4,-2.5 -4,-0.3 5,-0.2 -0.998 73.5-137.4-135.4 140.9 -16.7 9.6 -13.4 63 80 A K H > S+ 0 0 119 -2,-0.4 4,-3.1 1,-0.2 5,-0.2 0.876 101.3 56.1 -59.2 -43.9 -19.6 9.3 -15.9 64 81 A L H > S+ 0 0 82 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.923 115.4 35.8 -58.0 -49.3 -17.6 7.3 -18.5 65 82 A T H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.833 115.4 54.7 -78.1 -32.7 -16.6 4.5 -16.1 66 83 A K H X S+ 0 0 78 -4,-2.5 4,-2.4 -7,-0.4 5,-0.2 0.933 110.6 47.2 -63.5 -44.1 -19.9 4.6 -14.2 67 84 A D H X>S+ 0 0 27 -4,-3.1 5,-2.5 -5,-0.2 4,-1.8 0.831 107.1 60.0 -62.4 -33.6 -21.6 4.1 -17.5 68 85 A D H <>S+ 0 0 3 -4,-1.3 5,-2.0 -5,-0.2 -2,-0.2 0.949 114.2 33.2 -56.8 -50.0 -19.0 1.3 -18.2 69 86 A I H <5S+ 0 0 0 -4,-2.1 11,-0.6 3,-0.2 -2,-0.2 0.803 125.1 40.9 -83.1 -27.1 -20.1 -0.7 -15.2 70 87 A D H <5S+ 0 0 34 -4,-2.4 -3,-0.2 -5,-0.2 -1,-0.2 0.663 135.8 3.7 -93.0 -20.3 -23.9 0.1 -15.2 71 88 A V T ><5S+ 0 0 24 -4,-1.8 3,-1.5 -5,-0.2 4,-0.3 0.629 123.8 51.4-131.1 -58.3 -24.6 0.0 -18.9 72 89 A R G > XS+ 0 0 0 -5,-2.0 5,-2.4 -6,-0.3 3,-1.7 0.693 83.4 76.3 -64.3 -16.4 -21.0 -4.2 -19.2 74 91 A K G X 5S+ 0 0 43 -3,-1.5 83,-1.4 1,-0.3 3,-1.1 0.736 83.9 65.1 -67.7 -19.4 -24.4 -5.6 -20.2 75 92 A W G < 5S+ 0 0 0 -3,-2.0 80,-3.0 -4,-0.3 -1,-0.3 0.655 105.2 44.8 -71.1 -16.9 -22.8 -6.3 -23.6 76 93 A L G < 5S- 0 0 0 -3,-1.7 -1,-0.2 78,-0.2 -2,-0.2 0.142 127.8-104.0-106.8 11.9 -20.6 -8.8 -21.8 77 94 A G T < 5S+ 0 0 0 -3,-1.1 15,-2.4 1,-0.2 2,-0.5 0.680 78.6 134.4 76.5 20.2 -23.6 -10.1 -19.9 78 95 A L E < -B 91 0B 0 -5,-2.4 2,-0.6 13,-0.2 -1,-0.2 -0.914 33.9-170.2-113.5 126.3 -22.8 -8.3 -16.6 79 96 A F E -B 90 0B 14 11,-3.0 11,-2.5 -2,-0.5 2,-0.3 -0.921 16.2-141.7-123.8 102.1 -25.5 -6.5 -14.7 80 97 A H E -B 89 0B 8 -11,-0.6 2,-1.4 -2,-0.6 9,-0.2 -0.490 5.5-149.7 -66.0 124.5 -24.6 -4.2 -11.8 81 98 A R > + 0 0 34 7,-2.7 4,-2.2 4,-0.4 7,-0.3 -0.546 32.8 164.5 -89.6 67.1 -27.2 -4.5 -9.0 82 99 A R T 4 + 0 0 62 -2,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.888 67.2 33.5 -58.7 -47.3 -26.5 -1.0 -8.0 83 100 A K T 4 S+ 0 0 152 -3,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.924 130.2 26.9 -76.7 -45.8 -29.6 -0.4 -5.8 84 101 A N T 4 S+ 0 0 50 344,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.599 136.8 17.8-103.8 -14.3 -30.3 -3.8 -4.2 85 102 A Q S >< S- 0 0 16 -4,-2.2 3,-2.0 343,-0.2 -4,-0.4 -0.313 84.3-154.0-151.6 60.3 -26.9 -5.5 -4.1 86 103 A Y T 3 S+ 0 0 90 -4,-0.3 -4,-0.2 -3,-0.3 3,-0.1 -0.012 74.9 12.3 -48.0 133.5 -24.3 -2.7 -4.6 87 104 A G T 3 S+ 0 0 15 1,-0.3 49,-0.5 -31,-0.1 2,-0.3 0.443 104.7 106.0 81.2 1.3 -21.0 -3.7 -6.1 88 105 A R < - 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